N-cyclopropyl-4-[[4-ethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]benzamide

Systemtic Name: N-cyclopropyl-4-[[4-ethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: N-cyclopropyl-4-[[4-ethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: N-cyclopropyl-4-[[[4-ethyl-6-[4-(2-fluorophenyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-cyclopropyl-4-[[4-ethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: N-cyclopropyl-4-[[[4-ethyl-6-[4-(2-fluorophenyl)piperazino]pyrimidin-2-yl]thio]methyl]benzamide Formula: C27H30FN5OS MolecularWeight: 491.623403

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NC3CC3)N4CCN(CC4)C5=CC=CC=C5F

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NC3CC3)N4CCN(CC4)C5=CC=CC=C5F

InChI

InChI=1S/C27H30FN5OS/c1-2-21-17-25(33-15-13-32(14-16-33)24-6-4-3-5-23(24)28)31-27(30-21)35-18-19-7-9-20(10-8-19)26(34)29-22-11-12-22/h3-10,17,22H,2,11-16,18H2,1H3,(H,29,34)